6-hydroxy-2,6-dimethyloct-1-en-3-one

C10H18O2 — CID 57214641

IUPAC6-hydroxy-2,6-dimethyloct-1-en-3-one
SMILESC=C(C)C(=O)CCC(C)(O)CC
InChIInChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h12H,2,5-7H2,1,3-4H3
InChIKeySERTTXVYHYCFQK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds5

About 6-hydroxy-2,6-dimethyloct-1-en-3-one

6-hydroxy-2,6-dimethyloct-1-en-3-one (PubChem CID 57214641) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6-hydroxy-2,6-dimethyloct-1-en-3-one.

Molecular Properties

Compound Name6-hydroxy-2,6-dimethyloct-1-en-3-one
PubChem CID57214641
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6-hydroxy-2,6-dimethyloct-1-en-3-one
SMILESC=C(C)C(=O)CCC(C)(O)CC
InChIInChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h12H,2,5-7H2,1,3-4H3
InChIKeySERTTXVYHYCFQK-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

8-Hydroxy-2,6-dimethyloct-1-en-3-one
CID 14168634
6-Ethyl-6-hydroxyoct-7-en-3-one
CID 10678750
1-(1-Hydroxycyclohexyl)-2-methylprop-2-en-1-one
CID 103847196
5,7-Bis(2-hydroxyprop-2-enyl)undecan-6-one
CID 87574360
1-(3-Hydroxy-3-methylcyclobutyl)-2-methylprop-2-en-1-one
CID 123286149
6-Hydroxy-2,5,5,6-tetramethylhept-1-en-3-one
CID 134235849
5-Hydroxy-5,6-dimethylhept-6-en-2-one
CID 163517802
6-Hydroxy-2,6-dimethyloct-1-en-7-yn-3-one
CID 10855856
(4S)-7-hydroxy-7-methyl-4-prop-1-en-2-yloctan-2-one
CID 54578081
3-Ethyl-3-hydroxy-4-methylidenenonan-5-one
CID 71324865
3-Ethyl-3-hydroxy-4-methylidenedecan-5-one
CID 71324866
3-Ethyl-3-hydroxy-4-methylideneundecan-5-one
CID 71324867

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,6-dimethyloct-1-en-3-one?
The IUPAC name of 6-hydroxy-2,6-dimethyloct-1-en-3-one (CID 57214641) is 6-hydroxy-2,6-dimethyloct-1-en-3-one.
What is the SMILES notation for 6-hydroxy-2,6-dimethyloct-1-en-3-one?
The canonical SMILES for 6-hydroxy-2,6-dimethyloct-1-en-3-one is C=C(C)C(=O)CCC(C)(O)CC.
What is the InChIKey of 6-hydroxy-2,6-dimethyloct-1-en-3-one?
The InChIKey is SERTTXVYHYCFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h12H,2,5-7H2,1,3-4H3.
What are the key properties of 6-hydroxy-2,6-dimethyloct-1-en-3-one?
6-hydroxy-2,6-dimethyloct-1-en-3-one has a molecular weight of 170.25 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,6-dimethyloct-1-en-3-one is sourced from PubChem (CID 57214641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).